2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide

C24H24ClN3O — CID 11384204

IUPAC2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESC=Cc1ccccc1C(Nc1ccc(C)cc1Cl)C(=O)NCCc1ccncc1
InChIInChI=1S/C24H24ClN3O/c1-3-19-6-4-5-7-20(19)23(28-22-9-8-17(2)16-21(22)25)24(29)27-15-12-18-10-13-26-14-11-18/h3-11,13-14,16,23,28H,1,12,15H2,2H3,(H,27,29)
InChIKeyXLXIVHLJANQKSW-UHFFFAOYSA-N
MW405.93 g/mol
LogP5.20
Rot. Bonds8

About 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide

2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 11384204) has the molecular formula C24H24ClN3O and a molecular weight of 405.93 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID11384204
Molecular FormulaC24H24ClN3O
Molecular Weight405.93 g/mol
Exact Mass405.16
IUPAC Name2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESC=Cc1ccccc1C(Nc1ccc(C)cc1Cl)C(=O)NCCc1ccncc1
InChIInChI=1S/C24H24ClN3O/c1-3-19-6-4-5-7-20(19)23(28-22-9-8-17(2)16-21(22)25)24(29)27-15-12-18-10-13-26-14-11-18/h3-11,13-14,16,23,28H,1,12,15H2,2H3,(H,27,29)
InChIKeyXLXIVHLJANQKSW-UHFFFAOYSA-N
XLogP5.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-chlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 127031252
3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide
CID 138543849
JIN-POS-6dc588a4-13
CID 156906375
2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide
CID 156906712
RAL-THA-2d450e86-14
CID 156906720
PET-UNK-dd44aeb6-1
CID 156907011
2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)prop-2-enamide
CID 162396341
2-(N-(2-chloroacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide
CID 162396332
2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 162396334
2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide
CID 162396337
2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopentyl-2-pyridin-3-ylacetamide
CID 162396338
(2S,3S)-2-[(2-amino-2-methylpropanoyl)amino]-N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(4-phenylphenyl)butanamide
CID 57401143

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide (CID 11384204) is 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide is C=Cc1ccccc1C(Nc1ccc(C)cc1Cl)C(=O)NCCc1ccncc1.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is XLXIVHLJANQKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O/c1-3-19-6-4-5-7-20(19)23(28-22-9-8-17(2)16-21(22)25)24(29)27-15-12-18-10-13-26-14-11-18/h3-11,13-14,16,23,28H,1,12,15H2,2H3,(H,27,29).
What are the key properties of 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 405.93 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 11384204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).